HRID161278

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID19660

Carbonate

CO3-2

HCID2759828

Methyl 4-(bromomethyl)-3-methoxybenzoate

C10H11BrO3

结构：CC(c1ccc(O)cc1Cl)C(O)(c1ccnc(Cl)c1)C(F)(F)F

HCID57421264

未命名化合物

PRODUCTS

生成物

结构：COC(=O)c1ccc(COc2ccc(C(C)C(O)(c3ccnc(Cl)c3)C(F)(F)F)c(Cl)c2)c(OC)c1

HCID46940903

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-4d278bef793d41d5969f01ab83a460fe
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (9/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (9/10)

反应 SMILES

[Br:24][CH2:25][c:26]1[c:27]([O:36][CH3:37])[cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]1.[C:38](=[O:39])([O-:40])[O-:41].[Cl:1][c:2]1[cH:3][c:4]([OH:23])[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22].[K+:42].[K+:43]>>[Cl:1][c:2]1[cH:3][c:4]([O:23][CH2:25][c:26]2[c:27]([O:36][CH3:37])[cH:28][c:29]([C:30](=[O:31])[O:32][CH3:33])[cH:34][cH:35]2)[cH:5][cH:6][c:7]1[CH:8]([C:9]([C:10]([F:11])([F:12])[F:13])([OH:14])[c:15]1[cH:16][c:17]([Cl:21])[n:18][cH:19][cH:20]1)[CH3:22]